CID 64961

9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

C1=CC=C2C(=C1)C3=C(N2)C=NC=C3

InChI

InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H

InChIKey

AIFRHYZBTHREPW-UHFFFAOYSA-N

Compound name

9H-pyrido[3,4-b]indole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 715
References: 25846
Patents: 168.06874 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.07602	132.5
[M+Na]+	191.05796	148.4
[M+NH4]+	186.10256	142.8
[M+K]+	207.03190	141.8
[M-H]-	167.06146	135.3
[M+Na-2H]-	189.04341	141.0
[M]+	168.06819	135.7
[M]-	168.06929	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe